Hydrochloric Acid → HCID 178483285, compound

HRID 178409Notes

Reaction equation

HRID 178409 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][C:21]([CH2:22][CH:23]=[CH:24][C:25](=[O:26])[OH:27])([CH3:28])[CH3:29].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH:37]([C:38](=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([CH2:46][N:47]([CH3:48])[CH3:49])[CH2:44][CH2:45]1)[N:50]([C:51]([CH:52]([CH2:53][c:54]1[cH:55][c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[cH:62][cH:63]1)[NH:64][CH3:65])=[O:66])[CH3:67].[CH2:68]([N:69]([CH:70]([CH3:71])[CH3:72])[CH:73]([CH3:74])[CH3:75])[CH3:76].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[Cl:77][CH2:78][Cl:79].[ClH:1]>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][C:21]([CH2:22][CH:23]=[CH:24][C:25](=[O:27])[N:64]([CH:52]([C:51]([N:50]([CH:37]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:38](=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([CH2:46][N:47]([CH3:48])[CH3:49])[CH2:44][CH2:45]1)[CH3:67])=[O:66])[CH2:53][c:54]1[cH:55][c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[cH:62][cH:63]1)[CH3:65])([CH3:28])[CH3:29]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acidHCID 178483149HCID 178483149, compound

Product 1

HCID 178483285HCID 178483285, compound

Sources & evidence

ORD record
ord-bf1d2c289ef24d7a8811e67cbc5d5b7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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